Change search
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • harvard1
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf
Molecular structure and order of hexaoctyloxy-rufigallol in the solid and columnar phases: Analysis of H-2-C-13 dipolar and C-13 chemical-shift interactions
Show others and affiliations
2003 (English)In: Journal of Chemical Physics, ISSN 0021-9606, E-ISSN 1089-7690, Vol. 119, no 1, 413-422 p.Article in journal (Refereed) Published
Abstract [en]

We report a C-13 NMR investigation of 1,2,3,5,6,7-hexaoctyloxy-rufigallol in the solid and columnar phases using various H-2- and C-13-labeled isotopomers. The measurements were performed under both static and magic-angle spinning conditions. The conformations of the aliphatic side chains were derived from an analysis of H-2-C-13 dipolar and C-13 chemical-shift interactions. The nonequivalent chains exhibit significantly different structural behavior in both solid and columnar phase. It emerged that one of the side chains adopts an in-plane structure, while the other two chains prefer antiparallel out-of-plane conformations. Quantum-chemical calculations of the C-13 chemical-shift tensors were also carried out. These calculations support the experimental findings.

Place, publisher, year, edition, pages
2003. Vol. 119, no 1, 413-422 p.
Keyword [en]
nuclear-magnetic-resonance, discotic liquid-crystal, local-field nmr, magic-angle, rotating solids, state nmr, side-chains, mesophase, dynamics, triphenylenes
Identifiers
URN: urn:nbn:se:kth:diva-22598DOI: 10.1063/1.1576753ISI: 000183585400048OAI: oai:DiVA.org:kth-22598DiVA: diva2:341296
Note
QC 20100525Available from: 2010-08-10 Created: 2010-08-10 Last updated: 2017-12-12Bibliographically approved

Open Access in DiVA

No full text

Other links

Publisher's full text

Authority records BETA

Dvinskikh, Sergey V.

Search in DiVA

By author/editor
Dvinskikh, Sergey V.
In the same journal
Journal of Chemical Physics

Search outside of DiVA

GoogleGoogle Scholar

doi
urn-nbn

Altmetric score

doi
urn-nbn
Total: 36 hits
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • harvard1
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf